(NE)-N-[[(4E)-4-hydroxyimino-5,6,7,8-tetrahydrocyclohepta[b]thiophen-2-yl]-phenylmethylidene]hydroxylamine
Formula:C16H16N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[[(4E)-4-hydroxyimino-5,6,7,8-tetrahydrocyclohepta[b]thiophen-2-yl]-phenylmethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[[(4E)-4-hydroxyimino-5,6,7,8-tetrahydrocyclohepta[b]thiophen-2-yl]-phenylmethylidene]hydroxylamine |
| MolecularFormula | C16H16N2O2S |
| Smiles | O/N=C(/c1cc(/C(/CCCC2)=N/O)c2s1)\c1ccccc1 |
| InChI | InChI=1S/C16H16N2O2S/c19-17-13-8-4-5-9-14-12(13)10-15(21-14)16(18-20)11-6-2-1-3-7-11/h1-3,6-7,10,19-20H,4-5,8-9H2 |
| InChIK | MZHOKWFVRULYSM-UHFFFAOYSA-N |
| TotalMolweight | 300.381 |
| Molweight | 300.381 |
| MonoisotopicMass | 300.093248 |
| CLogP | 4.9292 |
| CLogS | -6.129 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 229.14 |
| Relative PSA | 0.30366 |
| PolarSurfaceArea | 93.42 |
| Druglikeness | -3.688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (NE)-N-[[(4E)-4-hydroxyimino-5,6,7,8-tetrahydrocyclohepta[b]thiophen-2-yl]-phenylmethylidene]hydroxylamine | 2 - (NE)-N-[[(4E)-4-hydroxyimino-5,6,7,8-tetrahydrocyclohepta[b]thiophen-2-yl]-phenylmethylidene]hydroxylamine
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